N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide

C18H19FN4O2 — CID 2982904

IUPACN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C18H19FN4O2/c1-21(2)14-10-16-15(22(3)18(25)23(16)4)9-13(14)20-17(24)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H,20,24)
InChIKeyWWWJNTZPXCPXAB-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.33
Rot. Bonds3

About N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide

N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide (PubChem CID 2982904) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
PubChem CID2982904
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C18H19FN4O2/c1-21(2)14-10-16-15(22(3)18(25)23(16)4)9-13(14)20-17(24)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H,20,24)
InChIKeyWWWJNTZPXCPXAB-UHFFFAOYSA-N
XLogP2.33
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Droperidol
CID 3168
Benperidol
CID 16363
Benzamide, N-(4-(aminocarbonyl)phenyl)-4-(2-(1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)diazenyl)-
CID 166444
3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-4-vinylbenzamide
CID 25105702
4-Fluoro-N-(4-fluorobenzoyl)-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105711
4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
CID 145704745
N-(6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzamide
CID 1250694
1-(4-Acetylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2406863
3-nitro-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzamide
CID 3863053
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-isopropylsulfanyl-benzamide
CID 6498925

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide (CID 2982904) is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide is CN(C)c1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)n2C.
What is the InChIKey of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
The InChIKey is WWWJNTZPXCPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-21(2)14-10-16-15(22(3)18(25)23(16)4)9-13(14)20-17(24)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H,20,24).
What are the key properties of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide?
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 2982904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).